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CHEBI:90145 - 2-naphthol AS BI-β-D-glucuronide

ChEBI IDCHEBI:90145
ChEBI Name2-naphthol AS BI-β-D-glucuronide
Stars
ASCII Name2-naphthol AS BI-beta-D-glucuronide
DefinitionA β-D-glucosiduronic acid having a 6-bromo-3-[(2-methoxyphenyl)carbamoyl]naphthalen-2-yl substituent at the anomeric position.
Last Modified29 October 2015
SubmitterSteve
DownloadsMolfile
FormulaC24H22BrNO9
Net Charge0
Average Mass548.342
Monoisotopic Mass547.04779
SMILESCOc1ccccc1NC(=O)c1cc2cc(Br)ccc2cc1O[C@@H]1O[C@H](C(=O)O)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C24H22BrNO9/c1-33-16-5-3-2-4-15(16)26-22(30)14-9-12-8-13(25)7-6-11(12)10-17(14)34-24-20(29)18(27)19(28)21(35-24)23(31)32/h2-10,18-21,24,27-29H,1H3,(H,26,30)(H,31,32)/t18-,19-,20+,21-,24+/m0/s1
InChIKeyACOOAEDFQKSZTC-NABGWTBKSA-N
Roles Classification
Application:
chromogenic compound  Colourless, endogenous or exogenous pigment precursors that may be transformed by biological mechanisms into coloured compounds. They are used in biochemical assays and in diagnosis as indicators, particularly in the form of enzyme substrates.
ChEBI Ontology
Outgoing Relation(s)
2-naphthol AS BI-β-D-glucuronide (CHEBI:90145) has role chromogenic compound (CHEBI:75050)
2-naphthol AS BI-β-D-glucuronide (CHEBI:90145) is a aromatic ether (CHEBI:35618)
2-naphthol AS BI-β-D-glucuronide (CHEBI:90145) is a naphthalenecarboxamide (CHEBI:48739)
2-naphthol AS BI-β-D-glucuronide (CHEBI:90145) is a organobromine compound (CHEBI:37141)
2-naphthol AS BI-β-D-glucuronide (CHEBI:90145) is a β-D-glucosiduronic acid (CHEBI:15341)
IUPAC Name 
6-bromo-3-[(2-methoxyphenyl)carbamoyl]naphthalen-2-yl β-D-glucopyranosiduronic acid
Synonyms  Source
β-D-glucuronosylnaphthol AS BIChEBI
β-D-glucuronosyl-2-naphthol AS BIChEBI
Registry NumbersSources
Reaxys:6883214Reaxys